General Information of the Compound
| Compound ID |
CP0376208
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| Compound Name |
1-Benzenesulfonyl-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C19H18N2O2S
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| Molecular Weight |
338.432
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1cc(C2=CCNCC2)c2ccccc12
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| InChI |
InChI=1S/C19H18N2O2S/c22-24(23,16-6-2-1-3-7-16)21-14-18(15-10-12-20-13-11-15)17-8-4-5-9-19(17)21/h1-10,14,20H,11-13H2
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| InChIKey |
GOCDLKCFBOWAOO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound